# generated using pymatgen
data_Nd(BC)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.82598400
_cell_length_b   3.82598400
_cell_length_c   7.68979800
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nd(BC)2
_chemical_formula_sum   'Nd2 B4 C4'
_cell_volume   112.56444403
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Nd  Nd0  1  0.00000000  0.00000000  0.75000000  1.0
  Nd  Nd1  1  0.00000000  0.00000000  0.25000000  1.0
  B  B2  1  0.21628800  0.50000000  0.00000000  1.0
  B  B3  1  0.78371200  0.50000000  0.00000000  1.0
  B  B4  1  0.50000000  0.21628800  0.50000000  1.0
  B  B5  1  0.50000000  0.78371200  0.50000000  1.0
  C  C6  1  0.50000000  0.18701500  0.00000000  1.0
  C  C7  1  0.50000000  0.81298500  0.00000000  1.0
  C  C8  1  0.81298500  0.50000000  0.50000000  1.0
  C  C9  1  0.18701500  0.50000000  0.50000000  1.0